(3S)-6-methyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)heptan-3-ol

Systemtic Name: (3S)-6-methyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)heptan-3-ol Openeye Name: (3S)-6-methyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)heptan-3-ol CAS Name: (3S)-6-methyl-1-(1-piperidin-1-iumyl)-3-(4-propoxyphenyl)-3-heptanol IUPAC Name: (3S)-6-methyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)heptan-3-ol Traditional Name: (3S)-6-methyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)heptan-3-ol Formula: C22H38NO2+ MolecularWeight: 348.54262

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CCC(C)C)(CC[NH+]2CCCCC2)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@](CCC(C)C)(CC[NH+]2CCCCC2)O

InChI

InChI=1S/C22H37NO2/c1-4-18-25-21-10-8-20(9-11-21)22(24,13-12-19(2)3)14-17-23-15-6-5-7-16-23/h8-11,19,24H,4-7,12-18H2,1-3H3/p+1/t22-/m0/s1